OPTIMADE, an API for exchanging materials data
Abstract
The Open Databases Integration for Materials Design (OPTIMADE) consortium has designed a universal application programming interface (API) to make materials databases accessible and interoperable. We outline the first stable release of the specification, v1.0, which is already supported by many leading databases and several software packages. We illustrate the advantages of the OPTIMADE API through worked examples on each of the public materials databases that support the full API specification.
Document Details
- Document Type
- Pub Defense Publication
- Publication Date
- Aug 12, 2021
- Source ID
- 10.1038/s41597-021-00974-z
Entities
People
- Abhijith Gopakumar
- Adam Fekete
- Andrew J Morris
- Andrius Merkys
- Ankit Kariryaa
- Antanas Vaitkus
- Arash A Mostofi
- Boris Kozinsky
- Casper W. Andersen
- Chris Wolverton
- Chung‐Tse Michael Wu
- Claudia Draxl
- Corey Oses
- Cormac Toher
- Daniel Speckhard
- David Waroquiers
- Davide Di Stefano
- Donald Winston
- Evgeny Blokhin
- Fawzi Mohamed
- Francesco Ricci
- Frisco Rose
- Gareth J. Conduit
- Geoffroy Hautier
- Georg Huhs
- Gian-Marco Rignanese
- Giovanni Pizzi
- Guido Petretto
- Jens Hummelshøj
- Kamal Choudhary
- Kristin A. Persson
- Leopold Talirz
- Marco Esters
- Marco Fornari
- Marco Govoni
- Markus Scheidgen
- Martin Uhrin
- Matteo Giantomassi
- Matthew Horton
- Matthew L Evans
- Matthias Scheffler
- Mohan Liu
- Nicola Marzari
- Patrick Huck
- Pauline Colinet
- Pierre Villars
- Rickard Armiento
- Rossella Aversa
- Saulius Grazulis
- Shyam S Dwaraknath
- Snehal Kumbhar
- Stefano Curtarolo
- Süleyman Er
- Thomas A. Purcell
- Vinay I Hegde
- Xiaoyu Yang
Organizations
- Engineering and Physical Sciences Research Council
- Horizon 2020
- National Center of Competence in Research Materials’ Revolution: Computational Design and Discovery of Novel Materials
- National Fund for Scientific Research
- National Science Foundation
- Swedish Research Council
- Swiss National Science Foundation
- United States Department of Commerce
- United States Department of Defense
- United States Department of Energy